4-[5-azanyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]imino-5-(2-hydroxyethylamino)-2-methyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-azanyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]imino-5-(2-hydroxyethylamino)-2-methyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-(5-amino-1-benzyl-3-methyl-pyrazol-4-yl)imino-5-(2-hydroxyethylamino)-2-methyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[[5-amino-3-methyl-1-(phenylmethyl)-4-pyrazolyl]imino]-5-(2-hydroxyethylamino)-2-methyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-(5-amino-1-benzyl-3-methylpyrazol-4-yl)imino-5-(2-hydroxyethylamino)-2-methylcyclohexa-2,5-dien-1-one Traditional Name: 4-(5-amino-1-benzyl-3-methyl-pyrazol-4-yl)imino-5-(2-hydroxyethylamino)-2-methyl-cyclohexa-2,5-dien-1-one Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(N(N=C2C)CC3=CC=CC=C3)N)C(=CC1=O)NCCO

Isomeric SMILES

CC1=CC(=NC2=C(N(N=C2C)CC3=CC=CC=C3)N)C(=CC1=O)NCCO

InChI

InChI=1S/C20H23N5O2/c1-13-10-17(16(11-18(13)27)22-8-9-26)23-19-14(2)24-25(20(19)21)12-15-6-4-3-5-7-15/h3-7,10-11,22,26H,8-9,12,21H2,1-2H3